3,5,7-Trihydroxy-2-[2-(4-Hydroxy-3-Methoxyphenyl)-3-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H22O10
IUPAC Name (2s,3s)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one
Molecular Mass 482.436 g·mol−1
Heat of Formation -1427.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 517.65 Å 3
Surface Area 452.82 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey FDQAOULAVFHKBX-HVHOJJEHSA-N
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Elements H C O